3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine

C19H39N — CID 167154849

IUPAC3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine
SMILESCC=CC(C)(CC)CCCCCC(CC)(CC)N(C)C
InChIInChI=1S/C19H39N/c1-8-15-18(5,9-2)16-13-12-14-17-19(10-3,11-4)20(6)7/h8,15H,9-14,16-17H2,1-7H3
InChIKeyUHYAUQHQDXDWMB-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.05
Rot. Bonds11

About 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine

3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine (PubChem CID 167154849) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine.

Molecular Properties

Compound Name3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine
PubChem CID167154849
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine
SMILESCC=CC(C)(CC)CCCCCC(CC)(CC)N(C)C
InChIInChI=1S/C19H39N/c1-8-15-18(5,9-2)16-13-12-14-17-19(10-3,11-4)20(6)7/h8,15H,9-14,16-17H2,1-7H3
InChIKeyUHYAUQHQDXDWMB-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-ethyl-4-methyldec-2-ene
CID 134979777
4-ethyl-4-methylnon-2-ene
CID 123220710
N,N-dimethyl-11-pentylhenicosan-11-amine
CID 175528933
7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
CID 173284262
N,N-dimethyl-6-pentylundecan-6-amine
CID 170848103
4-methyl-4-propylhept-2-ene
CID 123389519
(Z)-4-ethyl-4-methyldodec-2-en-1-amine
CID 126727185
4,4-dimethylnon-2-ene
CID 54495291
2-ethyl-2-methyldec-8-enal
CID 54065132
2-(dimethylamino)heptadecan-2-ol
CID 57269512
3,3,19,19-tetramethylhenicosane
CID 123780647
3,3,9,9-tetramethylundecane
CID 20661116

Frequently Asked Questions

What is the IUPAC name of 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine?
The IUPAC name of 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine (CID 167154849) is 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine.
What is the SMILES notation for 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine?
The canonical SMILES for 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine is CC=CC(C)(CC)CCCCCC(CC)(CC)N(C)C.
What is the InChIKey of 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine?
The InChIKey is UHYAUQHQDXDWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-8-15-18(5,9-2)16-13-12-14-17-19(10-3,11-4)20(6)7/h8,15H,9-14,16-17H2,1-7H3.
What are the key properties of 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine?
3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine has a molecular weight of 281.53 g/mol, XLogP of 6.05, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine is sourced from PubChem (CID 167154849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).